Surface-enhanced vibrational spectra of 2-nitrofluorene

The infrared and Raman spectra of the isolated adsorbate 2-nitrofluorene (2NF) have been registered and the spectral assignment was performed on the basis of both previous data concerning related molecules and density functional theory DFT calculations. The theoretical calculations were compared to the experimental results, obtaining a good agreement with the IR and Raman data. The surface-enhanced infrared and Raman spectra, SEIRA and SERS, of 2NF on different metal surfaces were registered; the best spectra were obtained by using the 633 nm laser line. The most probable orientation and organization of the adsorbate on the surface were inferred from the reflection–absorption infrared spectrum RAIRS and SERS and SEIRA data.